RE: [gmx-users] Re: Putting more than one peptide

2008-08-01 Thread Sheyore Omovie
mx-users] Re: Putting more than one peptide> > >1. First i am defining a box using editconf> >> >editconf -f 1st.gro -o box1.gro -bt cubic -box 6 -d 1.1> >> >then for inserting the next peptide i am using genbox> >> >genbox -cp box1.gro -ci 2nd.gro -n

[gmx-users] Re: Putting more than one peptide

2008-08-01 Thread Vitaly Chaban
>1. First i am defining a box using editconf > >editconf -f 1st.gro -o box1.gro -bt cubic -box 6 -d 1.1 > >then for inserting the next peptide i am using genbox > >genbox -cp box1.gro -ci 2nd.gro -nmol 1 -o box2.gro -seed 24 -try 100 > >and same for the subsequent 3 peptides. > >So in this way when

Re: [gmx-users] Re: Putting more than one peptide

2008-08-01 Thread Justin A. Lemkul
[EMAIL PROTECTED] wrote: Hi I am doing 5 peptide simulation. 1. First i am defining a box using editconf editconf -f 1st.gro -o box1.gro -bt cubic -box 6 -d 1.1 then for inserting the next peptide i am using genbox genbox -cp box1.gro -ci 2nd.gro -nmol 1 -o box2.gro -seed 24 -try 100 and

[gmx-users] Re: Putting more than one peptide

2008-08-01 Thread alkasrivastava
Hi I am doing 5 peptide simulation. 1. First i am defining a box using editconf editconf -f 1st.gro -o box1.gro -bt cubic -box 6 -d 1.1 then for inserting the next peptide i am using genbox genbox -cp box1.gro -ci 2nd.gro -nmol 1 -o box2.gro -seed 24 -try 100 and same for the subsequent 3 pep